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CHEBI:58742 - pyropheophorbide a anion

ChEBI IDCHEBI:58742
ChEBI Namepyropheophorbide a anion
Stars
ASCII Namepyropheophorbide a anion
DefinitionConjugate base of pyropheophorbide a arising from deprotonation of the carboxylic acid function.
Last Modified20 October 2014
DownloadsMolfile
FormulaC33H33N4O3
Net Charge-1
Average Mass533.652
Monoisotopic Mass533.25581
SMILESC=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)[O-])[C@@H]3C
InChIInChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,34,37H,1,8-11H2,2-6H3,(H,39,40)/p-1/b23-12-,24-13-,25-12-,26-14-,27-13-,28-14-,32-22-/t17-,21-/m0/s1
InChIKeyIEGUQQKIFBYXLG-CDIXLCFRSA-M
ChEBI Ontology
Outgoing Relation(s)
pyropheophorbide a anion (CHEBI:58742) is a cyclic tetrapyrrole anion (CHEBI:58941)
pyropheophorbide a anion (CHEBI:58742) is conjugate base of pyropheophorbide a (CHEBI:48398)
Incoming Relation(s)
pyropheophorbide a (CHEBI:48398) is conjugate acid of pyropheophorbide a anion (CHEBI:58742)
IUPAC Name 
3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoate
UniProt Name  Source
pyropheophorbide aUniProt